SCHEMBL5501126

SCHEMBL5501126

CCc1nn(CC)c(=O)c2oc3c(OC(F)F)cccc3c12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.39
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
ALOX15 P16050 1/20 0.34
CRHR1 P34998 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
S1PR2 O95136 1/20 0.31
KAT2B Q92831 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA1 P30542 1/20 0.30
TBXAS1 P24557 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5501098 0.90 MPO (0.34) MAPTALOX15CRHR1LIPGPDE4A
SCHEMBL3867667 0.79 MAPT (0.34) ADORA2AMAPTRECQLALOX15PDE4A
SCHEMBL15041024 0.68 BACE1 (0.32) CRHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL73417 0.65 PDE4D (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL73992 0.63 PDE4B (0.39) MAPTKMT2AMEN1PDE4APDE4B
SCHEMBL30752928 0.61 MEN1 (0.33) ADORA2ACRHR1KMT2AMEN1LIPG
SCHEMBL31427207 0.61 RECQL (0.43) ADORA2AMAPTRECQL
SCHEMBL5504175 0.61 PDE9A (0.37)
SCHEMBL14374844 0.61 MAOA (0.49) MAPTKMT2AMEN1
SCHEMBL29313274 0.59 CRHR1 (0.38) ADORA2AMAPTCRHR1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831227-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS Glenmark Pharmaceuticals S.A. (CH) 2007-09-12 EP claimed
WO-2006064355-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS S.A. (US) 2006-06-22 WO claimed